2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol

C17H21N3OS2 — CID 46993181

IUPAC2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C17H21N3OS2/c1-2-14(11-21)20(9-13-6-8-22-12-13)10-15-3-4-17(23-15)16-5-7-18-19-16/h3-8,12,14,21H,2,9-11H2,1H3,(H,18,19)
InChIKeyKVMJVHLNTIQSBP-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.97
Rot. Bonds8

About 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol

2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol (PubChem CID 46993181) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
PubChem CID46993181
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC Name2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)s1
InChIInChI=1S/C17H21N3OS2/c1-2-14(11-21)20(9-13-6-8-22-12-13)10-15-3-4-17(23-15)16-5-7-18-19-16/h3-8,12,14,21H,2,9-11H2,1H3,(H,18,19)
InChIKeyKVMJVHLNTIQSBP-UHFFFAOYSA-N
XLogP3.97
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylsulfanylphenyl)methyl-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]amino]ethanol
CID 46994934
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxy-N-(thiophen-3-ylmethyl)ethanamine
CID 46996306
2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(pyridin-3-ylmethyl)amino]butan-1-ol
CID 46996775
4-(hydroxymethyl)-1-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}piperidin-4-ol
CID 56755407
(2S)-2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-(thiophen-3-ylmethyl)amino]butan-1-ol
CID 52394191
(3S,4S)-4-[4-(hydroxymethyl)piperidin-1-yl]-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 56888390
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(3-methylthiophen-2-yl)methyl]amino]ethanol
CID 46989703
3-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]propan-1-ol
CID 46994968
2-methoxy-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 25501180
2-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(thiophen-2-ylmethyl)amino]ethanol
CID 42514032
2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 45206223
2-(Thiophen-2-YL)-1-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}azepane
CID 46366455

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol (CID 46993181) is 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1ccsc1)Cc1ccc(-c2ccn[nH]2)s1.
What is the InChIKey of 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
The InChIKey is KVMJVHLNTIQSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-2-14(11-21)20(9-13-6-8-22-12-13)10-15-3-4-17(23-15)16-5-7-18-19-16/h3-8,12,14,21H,2,9-11H2,1H3,(H,18,19).
What are the key properties of 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol?
2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol has a molecular weight of 347.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl-(thiophen-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 46993181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).